1,5-dimethyl pent-2-enedioate

Basic Information

View in Editor

CAS Number

5164-76-1

Molecular Formula

C7H10O4

Molecular Weight

158.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

192.8°Cat760mmHg

Refractive Index

n20/D 1.452

SMILES

View in Editor

COC(=O)CC=CC(=O)OC

InChI

InChI=1S/C7H10O4/c1-10-6(8)4-3-5-7(9)11-2/h3-4H,5H2,1-2H3/b4-3+

InChIKey

SKCGFFOFYXLNCG-ONEGZZNKSA-N

LogP

0.27870

Complexity

171

Safety Information

View Safety Information

GHS Hazard Pictograms

H412

Hazard Statement

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

2-Pentenedioic acid, dimethyl ester
A828707
Dimethyl glutaconate, >=97.0% (GC)
2-Pentenedioic acid, dimethyl ester, (2E)-
Q63399975
(E)-dimethyl pent-2-enedioate
Glutaconic acid, dimethyl ester
EN300-67005
AKOS005720779
1,5-dimethyl pent-2-enedioate
dimethyl (E)-pent-2-enedioate
(E)-dimethylpent-2-enedioate
DS-8030
Dimethyl glutaconate
1,5-dimethyl (2E)-pent-2-enedioate, trans
dimethyl (2E)-pent-2-enedioate
1,5-DIMETHYL (2E)-PENT-2-ENEDIOATE
Dimethyl (2E)-2-pentenedioate #
CHEMBL3247959
MFCD00066240
Dimethyl 2-pentenoate
dimethyl pent-2-enedioate
41527-39-3
CS-0130488
5164-76-1
EN300-364795
dimethyl glutaconate
2-Pentenedioic acid
Dimethyl pent-2-enedioate
2-Pentenedioic acid,dimethyl ester
DIMETHYL 2-PENTENOATE

MDL Number

MFCD00066240

Customs Code

2917190090

FAQ

What are the physical and chemical properties of 1,5-dimethyl pent-2-enedioate (CAS: 5164-76-1)?

1,5-Dimethyl pent-2-enedioate (CAS: 5164-76-1) is a colorless to light yellow liquid with a molecular weight of approximately 148.15 g/mol. It has a melting point of -21°C and a boiling point of 123-124°C. The compound is slightly soluble in water but miscible with most organic solvents. It is reactive, particularly towards nucleophiles and reducing agents.

How is 1,5-dimethyl pent-2-enedioate (CAS: 5164-76-1) typically synthesized?

1,5-Dimethyl pent-2-enedioate is typically synthesized via the esterification of maleic anhydride with dimethyl malonate. This reaction is usually catalyzed by an acid, such as sulfuric acid, at elevated temperatures. The yield is around 80-90%, and the selectivity towards the desired diester product is high.

What industries use 1,5-dimethyl pent-2-enedioate (CAS: 5164-76-1)?

1,5-Dimethyl pent-2-enedioate (CAS: 5164-76-1) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers as a monomer, sensors as a sensitive compound, and semiconductors for specific doping applications. Its versatile chemical properties make it suitable for these diverse applications.

What precautions should be taken when handling 1,5-dimethyl pent-2-enedioate (CAS: 5164-76-1)?

When handling 1,5-dimethyl pent-2-enedioate (CAS: 5164-76-1), it is essential to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. Fume hoods should be used to minimize inhalation risk. Spills should be cleaned up using appropriate absorbent materials, and the material safety data sheet (MSDS) should be consulted for detailed spill cleanup procedures. Storage should be in a cool, dry place, away from direct sunlight and incompatible materials.